4-methylsulfonyl-N-(oxan-2-yloxy)butanamide

C10H19NO5S — CID 89073669

IUPAC4-methylsulfonyl-N-(oxan-2-yloxy)butanamide
SMILESCS(=O)(=O)CCCC(=O)NOC1CCCCO1
InChIInChI=1S/C10H19NO5S/c1-17(13,14)8-4-5-9(12)11-16-10-6-2-3-7-15-10/h10H,2-8H2,1H3,(H,11,12)
InChIKeyJUIOSWFIMLSAHJ-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.39
Rot. Bonds6

About 4-methylsulfonyl-N-(oxan-2-yloxy)butanamide

4-methylsulfonyl-N-(oxan-2-yloxy)butanamide (PubChem CID 89073669) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-methylsulfonyl-N-(oxan-2-yloxy)butanamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-(oxan-2-yloxy)butanamide
PubChem CID89073669
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name4-methylsulfonyl-N-(oxan-2-yloxy)butanamide
SMILESCS(=O)(=O)CCCC(=O)NOC1CCCCO1
InChIInChI=1S/C10H19NO5S/c1-17(13,14)8-4-5-9(12)11-16-10-6-2-3-7-15-10/h10H,2-8H2,1H3,(H,11,12)
InChIKeyJUIOSWFIMLSAHJ-UHFFFAOYSA-N
XLogP0.39
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(oxan-2-yloxy)hexanamide
CID 142707517
N-(oxan-2-yloxy)hex-5-ynamide
CID 163203741
N-(oxan-2-yloxy)cyclopropanecarboxamide
CID 130685295
tert-butyl N-(oxan-2-yloxy)carbamate
CID 11790630
N-(2,6-difluorophenyl)-N'-(oxan-2-yloxy)butanediamide
CID 126840011
2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyacetamide
CID 94817277
N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-N'-(oxan-2-yloxy)octanediamide
CID 164771797
N-(oxan-2-yloxy)-2-pyrimidin-5-ylacetamide
CID 154862278
1-methyl-1,3-bis(oxan-2-yloxy)urea
CID 19371750
(2S)-2-methyl-N-[(2S)-oxan-2-yl]oxypiperidine-1-carboxamide
CID 99718680
7-(oxan-2-yloxysulfamoyl)-N-phenylheptanamide
CID 11153338
2-cyclohexyloxy-N-(oxan-2-yloxy)propanamide
CID 91642782

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-(oxan-2-yloxy)butanamide?
The IUPAC name of 4-methylsulfonyl-N-(oxan-2-yloxy)butanamide (CID 89073669) is 4-methylsulfonyl-N-(oxan-2-yloxy)butanamide.
What is the SMILES notation for 4-methylsulfonyl-N-(oxan-2-yloxy)butanamide?
The canonical SMILES for 4-methylsulfonyl-N-(oxan-2-yloxy)butanamide is CS(=O)(=O)CCCC(=O)NOC1CCCCO1.
What is the InChIKey of 4-methylsulfonyl-N-(oxan-2-yloxy)butanamide?
The InChIKey is JUIOSWFIMLSAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-17(13,14)8-4-5-9(12)11-16-10-6-2-3-7-15-10/h10H,2-8H2,1H3,(H,11,12).
What are the key properties of 4-methylsulfonyl-N-(oxan-2-yloxy)butanamide?
4-methylsulfonyl-N-(oxan-2-yloxy)butanamide has a molecular weight of 265.33 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-(oxan-2-yloxy)butanamide is sourced from PubChem (CID 89073669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).